| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 16 | Yes |
Popular Name: 4-Cumylphenol 4-Cumylphenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 599-64-4 , [599-64-4]
2-Phenyl-2-(4-hydroxyphenyl)propane; 4-Cumylphenol; 599-64-4; C14258; p-Cumylphenol
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.85 | 6.71 | -4.36 | 1 | 1 | 0 | 20 | 212.292 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 189-191?/10mm | Alfa-Aesar |
| Boiling_Point | 189-191°/10mm | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 2.09e-02 g/l | DrugBank-experimental |
| Melting_Point | 70-73? | Alfa-Aesar |
| Melting_Point | 70-73° | Alfa-Aesar |
| MP | 73 | TCI |
| MP | 74 - 76 | Enamine Building Blocks |
| MP | 74...76 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0953584A1 | IBM Patent Data |
